N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C14H15N3O6S — CID 110315678

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110315678) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110315678
• Molecular Formula: C14H15N3O6S
• Molecular Weight: 353.36 g/mol
• Exact Mass: 353.07
• IUPAC Name: N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=C1OC(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CN1C1CC1
• InChI: InChI=1S/C14H15N3O6S/c18-13-16-11-4-3-10(5-12(11)23-13)24(20,21)15-6-9-7-17(8-1-2-8)14(19)22-9/h3-5,8-9,15H,1-2,6-7H2,(H,16,18)
• InChIKey: YMGSPCPGCKEGHQ-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 121.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.36
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110315678) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=C1OC(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CN1C1CC1.

What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The InChIKey is YMGSPCPGCKEGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c18-13-16-11-4-3-10(5-12(11)23-13)24(20,21)15-6-9-7-17(8-1-2-8)14(19)22-9/h3-5,8-9,15H,1-2,6-7H2,(H,16,18).

What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 353.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110315678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).